Jonathan Goodman

Jonathan Goodman is Professor of Chemistry at the University of Cambridge. After his PhD with Professor Ian Paterson FRS at Cambridge, he did post-doctoral research with Professor Clark Still at Columbia University, before returning to the chemistry department at Cambridge, where he is now Professor of Chemistry, Academic Dean of Clare College and Deputy Director of the Centre for Molecular Informatics. His research includes both experimental and computational organic chemistry. Chemical data from both sources are combined to lean more about chemistry, using machine learning and other methods of chemical informatics. This combination of calculation and experiment has led to many insights into the detailed mechanisms of stereoselective processes in chemical synthesis. He has also developed the DP4 method for the quantification of confidence in the interpretation of NMR spectra, explored Molecular Initiating Events in chemical toxicology and, with IUPAC and the InChI Trust, created the Reaction InChI (RInChI) a canonical identifier for chemical reactions.

BINOPtimal: A Web Tool for Optimal Chiral Phosphoric Acid Catalyst Selection
J. P. Reid, K. Ermanis and J. M. Goodman
Chem. Commun. 2019, 55, 1778-1781.
DOI: 10.1039/C8CC09344J

Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events
T. E. H. Allen, J. M. Goodman, S. Gutsell and P. J. Russell
Tox. Sci. 2018, 165, 213-223.
DOI: 10.1093/toxsci/kfy144

International chemical identifier for reactions (RInChI)
G. Grethe, G. Blanke, H. Kraut and J. M. Goodman
J. Cheminformatics 2018, 10, 22.
DOI: 10.1186/s13321-018-0277-8

A synthesis-enabled stereochemical assignment of the C1-C28 region of hemicalide
B. Y. Han, N. Y. S. Lam, C. I. MacGregor, J. M. Goodman and I. Paterson
Chem. Commun. 2018, 54, 3247 - 3250.
DOI: 10.1039/C8CC00933C

A History of the Molecular Initiating Event
T. E. H. Allen, J. M. Goodman, S. Gutsell and P. J. Russell
Chem. Res. Toxicol. 2016, 29, 2060-2070.
DOI: 10.1021/acs.chemrestox.6b00341

A Practical Guide for Predicting the Stereochemistry of Bifunctional Phosphoric Acid Catalyzed Reactions of Imines
J. P. Reid, L. Simon and J. M. Goodman
Acc. Chem. Res. 2016, 49, 1029-1041.
DOI: 10.1021/acs.accounts.6b00052

The Most Reactive Amide As a Transition-State Mimic For cis-trans Interconversion
I. V. Komarov, S. Yanik, A. Y. Ishchenko, J. E. Davies, J. M. Goodman and A. J. Kirby
J. Am. Chem. Soc. 2015, 137, 926-930.
DOI: 10.1021/ja511460a

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